SCHEMBL751780

SCHEMBL751780

O=C(Nc1cc[c]cc1)N1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.62
NPC1 O15118 6/20 0.62
KMT2A Q03164 5/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
ALDH1A1 P00352 3/20 0.62
MEN1 O00255 3/20 0.62
TGM2 P21980 1/20 0.58
GAA P10253 1/20 0.55
NPSR1 Q6W5P4 2/20 0.54
POLB P06746 1/20 0.54
MAPT P10636 1/20 0.54
RECQL P46063 1/20 0.53
EPHX2 P34913 1/20 0.53
TSHR P16473 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL754698 0.98 RAB9A (0.65) RAB9ANPC1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL751658 0.96 RAB9A (0.57) RAB9ANPC1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3759188 0.84 POLB (0.69) RAB9ANPC1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL750953 0.84 CYP2C9 (0.71) RAB9ANPC1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL4776281 0.81 CYP2C9 (0.71) RAB9ANPC1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6609968 0.80 ALDH1A1 (0.55) RAB9ANPC1KMT2ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL7128759 0.79 POLB (0.72) RAB9ANPC1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL4051171 0.79 RAB9A (0.69) RAB9ANPC1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL420582 0.79 RAB9A (0.69) RAB9ANPC1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL1633763 0.78 RAB9A (0.67) RAB9ANPC1KMT2ASMN1; SMN2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430013-B1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC (US) 2014-10-15 EP claimed
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US claimed
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 US claimed
EP-2430013-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS Amgen, Inc (US) 2012-03-21 EP claimed
WO-2010132598-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC. (US) 2010-11-18 WO claimed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US claimed
WO-2008077651-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 WO claimed
EP-1140895-B1 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO (JP) 2004-03-24 EP claimed
WO-2003018019-A2 NEW USE OF CYCLIC COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-06 WO claimed
CN-1343206-A Cyclocompound FUJISAWA PHARMACEUTICAL CO (JP) 2002-04-03 CN claimed
US-20020032238-A1 Biphenylcarboxylic acid amides, the preparation thereof and the use thereof as medicaments BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-03-14 US claimed
EP-1140895-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP claimed
WO-2000040576-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-13 WO claimed
EP-2430013-B1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC (US) 2014-10-15 EP disclosed
EP-2029570-B1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2014-10-15 EP disclosed
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
CN-1343206-A Cyclocompound FUJISAWA PHARMACEUTICAL CO (JP) 2002-04-03 CN disclosed
US-20020032238-A1 Biphenylcarboxylic acid amides, the preparation thereof and the use thereof as medicaments BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-03-14 US disclosed
EP-1140895-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed
WO-2000040576-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-13 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020032238-A1 Biphenylcarboxylic acid amides, the preparation thereof and the use thereof as medicaments MTTP, CETP, FABP1 RAB9A 4376/4885NPC1 63/4885KMT2A 2379/4885
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors PIK3CA, PIKFYVE, PIK3CD RAB9A 677/4885NPC1 732/4885KMT2A 2120/4885
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PNP RAB9A 2543/4885NPC1 2244/4885KMT2A 4285/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.